For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-Fluoromethylphenidate HFB
SpectraBase Compound ID Epv0BvdusfL
InChI InChI=1S/C18H17F8NO3/c1-30-14(28)13(10-5-7-11(19)8-6-10)12-4-2-3-9-27(12)15(29)16(20,21)17(22,23)18(24,25)26/h5-8,12-13H,2-4,9H2,1H3
InChIKey OKGGWYOBVHGBNO-UHFFFAOYSA-N
Mol Weight 447.33 g/mol
Molecular Formula C18H17F8NO3
Exact Mass 447.108069 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BL7mabr4NO6
Name 4-Fluoromethylphenidate HFB
Classification Stimulant
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 447.108068712 u
Formula C18H17NO3F8
InChI InChI=1S/C18H17F8NO3/c1-30-14(28)13(10-5-7-11(19)8-6-10)12-4-2-3-9-27(12)15(29)16(20,21)17(22,23)18(24,25)26/h5-8,12-13H,2-4,9H2,1H3
InChIKey OKGGWYOBVHGBNO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 447.325 g/mol
SMILES c1cc(C(C2CCCCN2C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC)ccc1F
SPLASH splash10-001i-2790000000-721c82ee8d50706d8024
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_10516